5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline
Chemical Structure Depiction of
5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline
5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline
Compound characteristics
| Compound ID: | 3610-1202 |
| Compound Name: | 5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-(4-phenylbutan-2-yl)aniline |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CC(CCc1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8059 |
| logD: | 5.8059 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.269 |
| InChI Key: | PMYKUTWCASUAMF-QFIPXVFZSA-N |